Information card for entry 4080340

Structure parameters

• Formula: C139 H158 Cl2 F24 Ir2 N2 O4 P6 Sb4
• Calculated formula: C120 H112 Cl2 F24 Ir2 N2 O4 P6 Sb4
• Title of publication: Chiral Octahedral Phosphano‒Oxazoline Iridium(III) Complexes as Catalysts in Asymmetric Cycloaddition Reactions
• Authors of publication: Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ram\?írez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1609
• a: 25.703 ± 0.003 Å
• b: 26.433 ± 0.003 Å
• c: 21.329 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14491 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2308
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No